[1-(azetidin-3-yl)triazol-4-yl]methanol

C6H10N4O — CID 75485535

IUPAC[1-(azetidin-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(C2CNC2)nn1
InChIInChI=1S/C6H10N4O/c11-4-5-3-10(9-8-5)6-1-7-2-6/h3,6-7,11H,1-2,4H2
InChIKeyVUPXRFREZQRQCV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.09
Rot. Bonds2

About [1-(azetidin-3-yl)triazol-4-yl]methanol

[1-(azetidin-3-yl)triazol-4-yl]methanol (PubChem CID 75485535) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]methanol
PubChem CID75485535
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(C2CNC2)nn1
InChIInChI=1S/C6H10N4O/c11-4-5-3-10(9-8-5)6-1-7-2-6/h3,6-7,11H,1-2,4H2
InChIKeyVUPXRFREZQRQCV-UHFFFAOYSA-N
XLogP-1.09
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
[1-(thietan-3-yl)triazol-4-yl]methanol
CID 129452279
[1-(thiolan-3-yl)triazol-4-yl]methanol
CID 121200365
[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol
CID 129491102
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
CID 165444649
1-(azetidin-3-yl)-4-[(4-fluorophenoxy)methyl]triazole
CID 110199114
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812
[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
CID 129496204
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
CID 79316371
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
(2R,3R,4S,5S)-2-[4-(hydroxymethyl)triazol-1-yl]-1,1-dioxothiane-3,4,5-triol
CID 71511994

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]methanol (CID 75485535) is [1-(azetidin-3-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]methanol is OCc1cn(C2CNC2)nn1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]methanol?
The InChIKey is VUPXRFREZQRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c11-4-5-3-10(9-8-5)6-1-7-2-6/h3,6-7,11H,1-2,4H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]methanol?
[1-(azetidin-3-yl)triazol-4-yl]methanol has a molecular weight of 154.17 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]methanol is sourced from PubChem (CID 75485535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).